Vitas-M small molecule compound

2-{[5-(3-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone

Catalog ID
STK202419
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(c(c1)Cl)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 C20H17ClN4O3S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O3S/c1-3-10-24-19(15-5-4-13(2)17(21)11-15)22-23-20(24)29-12-18(26)14-6-8-16(9-7-14)25(27)28/h3-9,11H,1,10,12H2,2H3
InChIKey
XUHNVSGKBVUETD-UHFFFAOYSA-N
Synonyms

2((5(3CHLORO4METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((5(3CHLORO4METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
C=CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1c1ccc(c(c1)Cl)C
CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC20H17ClN4O3Sc13102419(155413(2)17(21)1115)222320(24)291218(26)146816(9714)25(27)28h3911H11012H22H3
MFCD04378717
ZINC000002860111
ZINC02860111
ZINC2860111

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Available files

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