Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethyl-6-nitrophenyl)acetamide
Catalog ID
STK328712
SMILES O=C(Nc1c(C)cc(cc1[N+](=O)[O-])C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccs1
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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 C22H18ClN5O3S2 MW 500.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O3S2/c1-13-10-14(2)20(17(11-13)28(30)31)24-19(29)12-33-22-26-25-21(18-4-3-9-32-18)27(22)16-7-5-15(23)6-8-16/h3-11H,12H2,1-2H3,(H,24,29)InChIKey
IXAKJCGVWSBLAF-UHFFFAOYSA-NSynonyms
889949-34-22((4(4chlorophenyl)5(thiophen2yl)4H124triazol3yl)sulfanyl)N(24dimethyl6nitrophenyl)acetamide
2((4(4CHLOROPHENYL)5THIOPHEN2YL124TRIAZOL3YL)SULFANYL)N(24DIMETHYL6NITROPHENYL)ACETAMIDE
889949342
CC1=CC(=C(C(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4)C
InChI=1SC22H18ClN5O3S2c1131014(2)20(17(1113)28(30)31)2419(29)123322262521(184393218)27(22)167515(23)6816h311H12H212H3(H2429)
MFCD06617321
O=C(Nc1c(C)cc(cc1(N+)(=O)(O))C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccs1
ZINC000014945396
ZINC14945396
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