Vitas-M small molecule compound
2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3-nitrophenyl)acetamide
Catalog ID
STK232359
SMILES COc1cccc2c1oc(c2)c1nnc(n1C)SCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])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 C21H19N5O5S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5S/c1-12-7-8-14(10-15(12)26(28)29)22-18(27)11-32-21-24-23-20(25(21)2)17-9-13-5-4-6-16(30-3)19(13)31-17/h4-10H,11H2,1-3H3,(H,22,27)InChIKey
MHSGWTGAHNRUEF-UHFFFAOYSA-NSynonyms
2((5(7METHOXY1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)N(4METHYL3NITROPHENYL)ACETAMIDE
2((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4METHYL3NITROPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC)(N+)(=O)(O)
COc1cccc2c1oc(c2)c1nnc(n1C)SCC(=O)Nc1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC21H19N5O5Sc1127814(1015(12)26(28)29)2218(27)113221242320(25(21)2)1791354616(303)19(13)3117h410H11H213H3(H2227)
MFCD06627591
ZINC000002879843
ZINC02879843
ZINC2879843
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