Vitas-M small molecule compound

4-(4,6,6-trimethyl-2-thioxohexahydropyrimidin-4-yl)benzene-1,3-diyl bis(4-methylbenzenesulfonate)

Catalog ID
STK674113
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(c(c1)OS(=O)(=O)c1ccc(cc1)C)C1(C)NC(=S)NC(C1)(C)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 C27H30N2O6S3 MW 574.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6S3/c1-18-6-11-21(12-7-18)37(30,31)34-20-10-15-23(27(5)17-26(3,4)28-25(36)29-27)24(16-20)35-38(32,33)22-13-8-19(2)9-14-22/h6-16H,17H2,1-5H3,(H2,28,29,36)
InChIKey
HFXPZAZOLLGVMY-UHFFFAOYSA-N
Synonyms

(3(4METHYLPHENYL)SULFONYLOXY4(466TRIMETHYL2SULFANYLIDENE13DIAZINAN4YL)PHENYL)4METHYLBENZENESULFONATE
4((4R)466TRIMETHYL2THIOXOHEXAHYDROPYRIMIDIN4YL)BENZENE13DIYLBIS(4METHYLBENZENESULFONATE)
4((4S)466TRIMETHYL2THIOXOHEXAHYDROPYRIMIDIN4YL)BENZENE13DIYLBIS(4METHYLBENZENESULFONATE)
4(466trimethyl2thioxohexahydropyrimidin4yl)benzene13diylbis(4methylbenzenesulfonate)
5(((4METHYLPHENYL)SULFONYL)OXY)2(466TRIMETHYL2THIOXOHEXAHYDRO4PYRIMIDINYL)PHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C3(CC(NC(=S)N3)(C)C)C)OS(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC27H30N2O6S3c11861121(12718)37(3031)3420101523(27(5)1726(34)2825(36)2927)24(1620)3538(3233)2213819(2)91422h616H17H215H3(H2282936)
MFCD00689893
ZINC000002187062
ZINC000002187063

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Available files

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