Vitas-M small molecule compound

6-{[7-methoxy-1-(methoxycarbonyl)-4,5-dihydronaphtho[2,1-b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

Catalog ID
STK466826
SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc2c1c1ccc(cc1CC2)OC

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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 C23H23NO6S MW 441.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6S/c1-29-13-8-9-14-12(11-13)7-10-17-18(14)19(23(28)30-2)21(31-17)24-20(25)15-5-3-4-6-16(15)22(26)27/h3-4,8-9,11,15-16H,5-7,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKey
XOGIXLAIGDWITO-UHFFFAOYSA-N
Synonyms

6((7methoxy1(methoxycarbonyl)45dihydronaphtho(21b)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((7methoxy1methoxycarbonyl45dihydrobenzo(e)(1)benzothiol2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(7METHOXY1(METHOXYCARBONYL)45DIHYDROBENZO(E)BENZO(B)THIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4CC=CCC4C(=O)O
InChI=1SC23H23NO6Sc12913891412(1113)7101718(14)19(23(28)302)21(3117)2420(25)15534616(15)22(26)27h3489111516H5710H212H3(H2425)(H2627)
MFCD06022416
ZINC000019633820
ZINC000019633831

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Available files

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