Vitas-M small molecule compound
2-{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK186979
SMILES C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1Cc1ccc(cc1)OC
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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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-3-11-24-20(12-15-7-9-18(29-2)10-8-15)22-23-21(24)30-14-19(26)16-5-4-6-17(13-16)25(27)28/h3-10,13H,1,11-12,14H2,2H3InChIKey
UFYWQMNONIJZSC-UHFFFAOYSA-NSynonyms
2((4ALLYL5(4METHOXYBENZYL)4H124TRIAZOL3YL)THIO)1(3NITROPHENYL)ETHANONE
2((5((4METHOXYPHENYL)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(4METHOXYBENZYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2(4ALLYL5(4METHOXYBENZYL)4H(124)TRIAZOL3YLSULFANYL)1(3NITROPHENYL)ETHANONE
C=CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1Cc1ccc(cc1)OC
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H20N4O4Sc13112420(12157918(292)10815)222321(24)301419(26)1654617(1316)25(27)28h31013H1111214H22H3
MFCD06006193
ZINC000001061132
ZINC01061132
ZINC1061132
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