Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK727490
SMILES COc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
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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 C26H23N5O2S2 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O2S2/c1-16-13-19(17(2)30(16)20-9-11-21(33-3)12-10-20)14-22-23(27)31-25(28-24(22)32)35-26(29-31)34-15-18-7-5-4-6-8-18/h4-14,27H,15H2,1-3H3/b22-14-,27-23-InChIKey
YJBSAIYWUQUNKD-WSAMZLRMSA-NSynonyms
532432-01-2(6Z)2(benzylsulfanyl)5imino6((1(4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzylthio)5imino6((1(4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
532432012
COc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
MFCD03570239
ZINC000009463158
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