Vitas-M small molecule compound

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

Catalog ID
STL439458
SMILES COc1cc(OC)ccc1NC(=O)C1(CCSCC1)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)C1CC1

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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 C33H41N3O4S MW 575.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O4S/c1-20-29(23-8-6-7-9-25(23)34-20)30-24(32(30,2)3)19-28(37)36(21-10-11-21)33(14-16-41-17-15-33)31(38)35-26-13-12-22(39-4)18-27(26)40-5/h6-9,12-13,18,21,24,30,34H,10-11,14-17,19H2,1-5H3,(H,35,38)
InChIKey
RMBHSSCWSNJORB-UHFFFAOYSA-N
Synonyms

4(cyclopropyl((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)amino)N(24dimethoxyphenyl)tetrahydro2Hthiopyran4carboxamide
4(CYCLOPROPYL(2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)AMINO)N(24DIMETHOXYPHENYL)THIANE4CARBOXAMIDE
4(NCYCLOPROPYL2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETAMIDO)N(24DIMETHOXYPHENYL)TETRAHYDRO2HTHIOPYRAN4CARBOXAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(C4CC4)C5(CCSCC5)C(=O)NC6=C(C=C(C=C6)OC)OC
COc1cc(OC)ccc1NC(=O)C1(CCSCC1)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)C1CC1
InChI=1SC33H41N3O4Sc12029(23867925(23)3420)3024(32(302)3)1928(37)36(21101121)33(141641171533)31(38)3526131222(394)1827(26)405h6912131821243034H1011141719H215H3(H3538)
MFCD29709838
ZINC000008749568
ZINC000101386056

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Available files

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