Vitas-M small molecule compound

dimethyl 2,2'-{sulfanediylbis[(1-oxopropane-3,1-diyl)imino]}bis(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate)

Catalog ID
STK420457
SMILES COC(=O)c1c(NC(=O)CCSCCC(=O)Nc2sc3c(c2C(=O)OC)CCCCCC3)sc2c1CCCCCC2

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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 C30H40N2O6S3 MW 620.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O6S3/c1-37-29(35)25-19-11-7-3-5-9-13-21(19)40-27(25)31-23(33)15-17-39-18-16-24(34)32-28-26(30(36)38-2)20-12-8-4-6-10-14-22(20)41-28/h3-18H2,1-2H3,(H,31,33)(H,32,34)
InChIKey
FBGBBPOJSBSMHU-UHFFFAOYSA-N
Synonyms
353769-61-6
353769616
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CCSCCC(=O)NC3=C(C4=C(S3)CCCCCC4)C(=O)OC
dimethyl22(sulfanediylbis((1oxopropane31diyl)imino))bis(456789hexahydrocycloocta(b)thiophene3carboxylate)
InChI=1SC30H40N2O6S3c13729(35)25191173591321(19)4027(25)3123(33)151739181624(34)322826(30(36)382)2012846101422(20)4128h318H212H3(H3133)(H3234)
methyl2(3(3((3methoxycarbonyl456789hexahydrocycloocta(b)thiophen2yl)amino)3oxopropyl)sulfanylpropanoylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01835562
ZINC000008443738
ZINC08443738
ZINC8443738

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Available files

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