Vitas-M small molecule compound
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK807164
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)c1sc2c(c1Cl)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 C19H13ClN4O3S2 MW 444.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN4O3S2/c1-23-18(17-16(20)13-4-2-3-5-15(13)29-17)21-22-19(23)28-10-14(25)11-6-8-12(9-7-11)24(26)27/h2-9H,10H2,1H3InChIKey
IJPGXEAGXTXNEU-UHFFFAOYSA-NSynonyms
2((5(3CHLORO1BENZOTHIOPHEN2YL)4METHYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((5(3chloro1benzothiophen2yl)4methyl4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2(5(3CHLOROBENZO(B)THIOPHEN2YL)4METHYL(124TRIAZOL3YLTHIO))1(4NITROPHENYL)ETHAN1ONE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=C(C4=CC=CC=C4S3)Cl
InChI=1SC19H13ClN4O3S2c12318(1716(20)13423515(13)2917)212219(23)281014(25)116812(9711)24(26)27h29H10H21H3
MFCD03621283
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)c1sc2c(c1Cl)cccc2
ZINC000000938559
ZINC00938559
ZINC938559
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