Vitas-M small molecule compound
(6Z)-6-({1-[3-(2,5-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK554292
SMILES Cc1ccc(c(c1)OCCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C)C
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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 C33H31N5O3S MW 577.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O3S/c1-21-13-14-23(3)29(17-21)40-16-8-15-37-19-24(25-10-5-6-11-27(25)37)18-26-31(34)38-33(35-32(26)39)42-30(36-38)20-41-28-12-7-4-9-22(28)2/h4-7,9-14,17-19,34H,8,15-16,20H2,1-3H3/b26-18-,34-31-InChIKey
ZHQNLFMKNHVNDM-SKUPODCUSA-NSynonyms
(6Z)6((1(3(25dimethylphenoxy)propyl)1Hindol3yl)methylidene)5imino2((2methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(3(25dimethylphenoxy)propyl)1Hindol3yl)methylene)5imino2((otolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1ccc(c(c1)OCCCn1cc(c2c1cccc2)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C)C
MFCD04005514
ZINC000097964928
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