Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Catalog ID
STK473866
SMILES CCCc1cc(c(s1)NC(=O)/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])/C#N)C(=O)OC
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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/c1-3-4-13-7-14(20(25)28-2)19(31-13)22-18(24)12(9-21)5-11-6-16-17(30-10-29-16)8-15(11)23(26)27/h5-8H,3-4,10H2,1-2H3,(H,22,24)/b12-5+InChIKey
AMAPVWCQUINMJI-LFYBBSHMSA-NSynonyms
CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)C#N)C(=O)OC
CCCc1cc(c(s1)NC(=O)C(=Cc1cc2OCOc2cc1(N+)(=O)(O))C#N)C(=O)OC
InChI=1SC20H17N3O7Sc13413714(20(25)282)19(3113)2218(24)12(921)51161617(30102916)815(11)23(26)27h58H3410H212H3(H2224)b125+
methyl2(((2E)2cyano3(6nitro13benzodioxol5yl)prop2enoyl)amino)5propylthiophene3carboxylate
methyl2(((E)2cyano3(6nitro13benzodioxol5yl)prop2enoyl)amino)5propylthiophene3carboxylate
METHYL2((2E)2CYANO3(6NITRO(2HBENZO(34D)13DIOXOLAN5YL))PROP2ENOYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
MFCD06173349
ZINC000019637887
ZINC19637887
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