Vitas-M small molecule compound

3-(3-chlorophenyl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STL052246
SMILES C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1cccc(c1)Cl

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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 C18H15ClN4O2S MW 386.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O2S/c1-2-10-22-17(14-4-3-5-15(19)11-14)20-21-18(22)26-12-13-6-8-16(9-7-13)23(24)25/h2-9,11H,1,10,12H2
InChIKey
VVTOTUBFPSKVJU-UHFFFAOYSA-N
Synonyms
714241-80-2
3(3CHLOROPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOLE
3(3chlorophenyl)5((4nitrobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3(3CHLOROPHENYL)5((4NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOLE
4allyl3(3chlorophenyl)5((4nitrobenzyl)thio)4H124triazole
5(3CHLOROPHENYL)3((4NITROPHENYL)METHYLTHIO)4PROP2ENYL124TRIAZOLE
714241802
C=CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))C3=CC(=CC=C3)Cl
C=CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1cccc(c1)Cl
InChI=1SC18H15ClN4O2Sc12102217(1443515(19)1114)202118(22)2612136816(9713)23(24)25h2911H11012H2
MFCD05682925
ZINC000005477846
ZINC05477846
ZINC5477846

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Available files

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