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N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Catalog ID
STK544936
SMILES O=C(NC1CC1)CSc1nc2c(s1)cc(cc2)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

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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 C30H27N5O3S4 MW 633.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O3S4/c36-24(32-18-12-13-21-23(14-18)42-30(33-21)40-16-25(37)31-17-10-11-17)15-39-29-34-27-26(20-8-4-5-9-22(20)41-27)28(38)35(29)19-6-2-1-3-7-19/h1-3,6-7,12-14,17H,4-5,8-11,15-16H2,(H,31,37)(H,32,36)
InChIKey
IOAAGGYJCUWRLQ-UHFFFAOYSA-N
Synonyms

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NC5=CC6=C(C=C5)N=C(S6)SCC(=O)NC7CC7
InChI=1SC30H27N5O3S4c3624(321812132123(1418)4230(3321)401625(37)3117101117)153929342726(20845922(20)4127)28(38)35(29)196213719h1367121417H458111516H2(H3137)(H3236)
MFCD03082270
N(2((2(cyclopropylamino)2oxoethyl)sulfanyl)13benzothiazol6yl)2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2(2(cyclopropylamino)2oxoethyl)sulfanyl13benzothiazol6yl)2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
Ncyclopropyl2((6(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzo(d)thiazol2yl)thio)acetamide
ZINC000008437918
ZINC8437918

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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