Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK472609
SMILES N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/C(=O)Nc1sc(cc1C(=O)OC)C(C)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 C20H17N3O7S MW 443.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O7S/c1-10(2)17-6-13(20(25)28-3)19(31-17)22-18(24)12(8-21)4-11-5-15-16(30-9-29-15)7-14(11)23(26)27/h4-7,10H,9H2,1-3H3,(H,22,24)/b12-4+InChIKey
HMBUVLVFKDLPSR-UUILKARUSA-NSynonyms
CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)C#N)C(=O)OC
InChI=1SC20H17N3O7Sc110(2)17613(20(25)283)19(3117)2218(24)12(821)41151516(3092915)714(11)23(26)27h4710H9H213H3(H2224)b124+
methyl2(((2E)2cyano3(6nitro13benzodioxol5yl)prop2enoyl)amino)5(propan2yl)thiophene3carboxylate
methyl2(((E)2cyano3(6nitro13benzodioxol5yl)prop2enoyl)amino)5propan2ylthiophene3carboxylate
METHYL2((2E)2CYANO3(6NITRO(2HBENZO(34D)13DIOXOLAN5YL))PROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
MFCD07093581
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))C(=O)Nc1sc(cc1C(=O)OC)C(C)C
ZINC000019637881
ZINC19637881
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