Vitas-M small molecule compound
2-{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STK133434
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)[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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-3-12-25-19(13-15-4-10-18(30-2)11-5-15)23-24-21(25)31-14-20(27)22-16-6-8-17(9-7-16)26(28)29/h3-11H,1,12-14H2,2H3,(H,22,27)InChIKey
VBXOGTLOYUUQQB-UHFFFAOYSA-NSynonyms
2((5((4METHOXYPHENYL)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((5(4METHOXYBENZYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
C=CCn1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nnc1Cc1ccc(cc1)OC
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H21N5O4Sc13122519(131541018(302)11515)232421(25)311420(27)22166817(9716)26(28)29h311H11214H22H3(H2227)
MFCD04219394
ZINC000009260512
ZINC09260512
ZINC9260512
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