Vitas-M small molecule compound
ethyl 4-(butyl{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK777570
SMILES CCCCN(c1ccc(cc1)C(=O)OCC)C(=O)CSc1nnc2c(n1)n(CCC)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 C27H31N5O3S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O3S/c1-4-7-17-31(20-14-12-19(13-15-20)26(34)35-6-3)23(33)18-36-27-28-25-24(29-30-27)21-10-8-9-11-22(21)32(25)16-5-2/h8-15H,4-7,16-18H2,1-3H3InChIKey
SJTMVQLAKSNRIH-UHFFFAOYSA-NSynonyms
CCCCN(C1=CC=C(C=C1)C(=O)OCC)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3CCC)N=N2
ethyl4(butyl(((5propyl5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4(BUTYL(2((5PROPYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC27H31N5O3Sc1471731(20141219(131520)26(34)3563)23(33)183627282524(293027)2110891122(21)32(25)1652h815H471618H213H3
MFCD05854632
ZINC000012419928
ZINC12419928
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