Vitas-M small molecule compound
(2Z)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK816865
SMILES N#C/C(=C/c1cn(nc1c1ccc(c(c1)C)OCC(C)C)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1
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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 C28H30N4O4S MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O4S/c1-19(2)17-36-26-10-9-21(13-20(26)3)27-23(16-32(31-27)25-7-5-4-6-8-25)14-22(15-29)28(33)30-24-11-12-37(34,35)18-24/h4-10,13-14,16,19,24H,11-12,17-18H2,1-3H3,(H,30,33)/b22-14-InChIKey
IATYGGDKWXPSGM-HMAPJEAMSA-NSynonyms
955877-38-0(2Z)2cyanoN(11dioxidotetrahydrothiophen3yl)3(3(3methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(Z)2cyanoN(11dioxidotetrahydrothiophen3yl)3(3(4isobutoxy3methylphenyl)1phenyl1Hpyrazol4yl)acrylamide
(Z)2cyanoN(11dioxothiolan3yl)3(3(3methyl4(2methylpropoxy)phenyl)1phenylpyrazol4yl)prop2enamide
955877380
CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4)OCC(C)C
InChI=1SC28H30N4O4Sc119(2)17362610921(1320(26)3)2723(1632(3127)257546825)1422(1529)28(33)3024111237(3435)1824h4101314161924H11121718H213H3(H3033)b2214
MFCD03663610
N#CC(=Cc1cn(nc1c1ccc(c(c1)C)OCC(C)C)c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
ZINC000013618831
ZINC000013618833
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