Vitas-M small molecule compound

propan-2-yl 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK419244
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)/C=C/c1ccc(cc1)C(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 C26H33NO3S MW 439.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO3S/c1-16(2)30-25(29)23-20-13-7-17(3)15-21(20)31-24(23)27-22(28)14-10-18-8-11-19(12-9-18)26(4,5)6/h8-12,14,16-17H,7,13,15H2,1-6H3,(H,27,28)/b14-10+
InChIKey
CKIOQCCIDMODTH-GXDHUFHOSA-N
Synonyms
353477-94-8
353477948
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C=CC3=CC=C(C=C3)C(C)(C)C
CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)C=Cc1ccc(cc1)C(C)(C)C
InChI=1SC26H33NO3Sc116(2)3025(29)232013717(3)1521(20)3124(23)2722(28)14101881119(12918)26(45)6h812141617H71315H216H3(H2728)b1410+
MFCD01355626
propan2yl2(((2E)3(4tertbutylphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)3(4tertbutylphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002741888
ZINC000002741890

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Available files

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