Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK472601
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCCC(C)C)/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 C25H30N2O5S MW 470.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5S/c1-15(2)9-10-32-20-8-7-17(12-21(20)30-5)11-18(14-26)23(28)27-24-19(25(29)31-6)13-22(33-24)16(3)4/h7-8,11-13,15-16H,9-10H2,1-6H3,(H,27,28)/b18-11+InChIKey
KIWRDSSQWPIGFX-WOJGMQOQSA-NSynonyms
CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC)OC
InChI=1SC25H30N2O5Sc115(2)91032208717(1221(20)305)1118(1426)23(28)272419(25(29)316)1322(3324)16(3)4h7811131516H910H216H3(H2728)b1811+
methyl2(((2E)2cyano3(3methoxy4(3methylbutoxy)phenyl)prop2enoyl)amino)5(propan2yl)thiophene3carboxylate
methyl2(((E)2cyano3(3methoxy4(3methylbutoxy)phenyl)prop2enoyl)amino)5propan2ylthiophene3carboxylate
METHYL2((2E)2CYANO3(3METHOXY4(3METHYLBUTOXY)PHENYL)PROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
MFCD07075266
N#CC(=Cc1ccc(c(c1)OC)OCCC(C)C)C(=O)Nc1sc(cc1C(=O)OC)C(C)C
ZINC000020468574
ZINC20468574
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