Vitas-M small molecule compound
4-[({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-methylbenzoic acid
Catalog ID
STL365093
SMILES O=C(Nc1ccc(cc1C)C(=O)O)CSc1nnc(n1C)c1cc2c(o1)cccc2
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-12-9-14(20(27)28)7-8-15(12)22-18(26)11-30-21-24-23-19(25(21)2)17-10-13-5-3-4-6-16(13)29-17/h3-10H,11H2,1-2H3,(H,22,26)(H,27,28)InChIKey
OTXVFYSPTXDDCM-UHFFFAOYSA-NSynonyms
4((((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)3methylbenzoicacid
4((2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)acetyl)amino)3methylbenzoicacid
CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3
InChI=1SC21H18N4O4Sc112914(20(27)28)7815(12)2218(26)113021242319(25(21)2)171013534616(13)2917h310H11H212H3(H2226)(H2728)
MFCD09217098
ZINC000010681749
ZINC10681749
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