Vitas-M small molecule compound

4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(pyridin-3-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)tetrahydro-2H-thiopyran-4-carboxamide

Catalog ID
STL439450
SMILES Cc1cc(C)c(c(c1)C)NC(=O)C1(CCSCC1)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1cccnc1

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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 C37H44N4O2S MW 608.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O2S/c1-23-18-24(2)34(25(3)19-23)40-35(43)37(13-16-44-17-14-37)41(22-27-10-9-15-38-21-27)31(42)20-29-33(36(29,5)6)32-26(4)39-30-12-8-7-11-28(30)32/h7-12,15,18-19,21,29,33,39H,13-14,16-17,20,22H2,1-6H3,(H,40,43)
InChIKey
MMUNRLZBDJHSIM-UHFFFAOYSA-N
Synonyms

4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(pyridin3ylmethyl)amino)N(246trimethylphenyl)tetrahydro2Hthiopyran4carboxamide
4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)N(246TRIMETHYLPHENYL)THIANE4CARBOXAMIDE
4(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(PYRIDIN3YLMETHYL)ACETAMIDO)NMESITYLTETRAHYDRO2HTHIOPYRAN4CARBOXAMIDE
CC1=CC(=C(C(=C1)C)NC(=O)C2(CCSCC2)N(CC3=CN=CC=C3)C(=O)CC4C(C4(C)C)C5=C(NC6=CC=CC=C65)C)C
Cc1cc(C)c(c(c1)C)NC(=O)C1(CCSCC1)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1cccnc1
InChI=1SC37H44N4O2Sc1231824(2)34(25(3)1923)4035(43)37(131644171437)41(222710915382127)31(42)202933(36(295)6)3226(4)393012871128(30)32h71215181921293339H131416172022H216H3(H4043)
MFCD29709832
ZINC000008696053
ZINC000101386070

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Available files

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