Vitas-M small molecule compound
2-{[5-(2-chlorobenzyl)-4-hydroxy-6-methylpyrimidin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STK328765
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nc(C)c(c(n1)O)Cc1ccccc1Cl
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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 C20H17ClN4O4S MW 444.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O4S/c1-12-16(10-13-4-2-3-5-17(13)21)19(27)24-20(22-12)30-11-18(26)23-14-6-8-15(9-7-14)25(28)29/h2-9H,10-11H2,1H3,(H,23,26)(H,22,24,27)InChIKey
ZIGVGBIOAPYUAH-UHFFFAOYSA-NSynonyms
727688-57-52((5((2CHLOROPHENYL)METHYL)6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((5(2chlorobenzyl)4hydroxy6methylpyrimidin2yl)sulfanyl)N(4nitrophenyl)acetamide
727688575
CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CC3=CC=CC=C3Cl
InChI=1SC20H17ClN4O4Sc11216(1013423517(13)21)19(27)2420(2212)301118(26)23146815(9714)25(28)29h29H1011H21H3(H2326)(H222427)
MFCD06014600
O=C(Nc1ccc(cc1)(N+)(=O)(O))CSc1nc(C)c(c(n1)O)Cc1ccccc1Cl
ZINC000014944049
ZINC14944049
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