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Vitas-M small molecule compound

ethyl 6-oxo-6-[2-oxo-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate

Catalog ID
STK123830
SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c(n1)n(CC=C)c1c2cccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H26N6O4S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O4S/c1-3-13-30-17-10-6-5-9-15(17)20-22(30)27-24(29-28-20)35-14-16-21(26-23(33)25-16)18(31)11-7-8-12-19(32)34-4-2/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3,(H2,25,26,33)
InChIKey
JFALAINVINKKTI-UHFFFAOYSA-N
Synonyms
296772-64-0
296772640
6(5(((5ALLYL(124)TRIAZIN(56B)INDOL3YL)THIO)METHYL)2KETO4IMIDAZOLIN4YL)6KETOHEXANOICACIDETHYLESTER
6OXO6(2OXO5(((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)THIO)METHYL)13DIHYDROIMIDAZOL4YL)HEXANOICACIDETHYLESTER
CCOC(=O)CCCCC(=O)c1(nH)c(=O)(nH)c1CSc1nnc2c(n1)n(CC=C)c1c2cccc1
CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2
ETHYL6OXIDANYLIDENE6(2OXIDANYLIDENE5((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)SULFANYLMETHYL)13DIHYDROIMIDAZOL4YL)HEXANOATE
ETHYL6OXO6(2OXO5(((5(PROP2EN1YL)5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)METHYL)23DIHYDRO1HIMIDAZOL4YL)HEXANOATE
ETHYL6OXO6(2OXO5((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)SULFANYLMETHYL)13DIHYDROIMIDAZOL4YL)HEXANOATE
InChI=1SC24H26N6O4Sc131330171065915(17)2022(30)2724(292820)35141621(2623(33)2516)18(31)11781219(32)3442h356910H14781114H22H3(H2252633)
MFCD01240647
ZINC000009601047
ZINC09601047
ZINC9601047

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Available files

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