Vitas-M small molecule compound
3-{[7-methoxy-1-(methoxycarbonyl)-4,5-dihydronaphtho[2,1-b]thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK466939
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)O3)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 C23H23NO7S MW 457.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO7S/c1-29-11-4-5-12-10(9-11)3-8-15-16(12)19(23(28)30-2)21(32-15)24-20(25)17-13-6-7-14(31-13)18(17)22(26)27/h4-5,9,13-14,17-18H,3,6-8H2,1-2H3,(H,24,25)(H,26,27)InChIKey
CRTPZDMJCBMNNG-UHFFFAOYSA-NSynonyms
2((7methoxy1methoxycarbonyl45dihydrobenzo(e)(1)benzothiol2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((7methoxy1(methoxycarbonyl)45dihydronaphtho(21b)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(7METHOXY1(METHOXYCARBONYL)45DIHYDROBENZO(E)BENZO(B)THIOPHEN2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4C5CCC(C4C(=O)O)O5
InChI=1SC23H23NO7Sc12911451210(911)381516(12)19(23(28)302)21(3215)2420(25)17136714(3113)18(17)22(26)27h45913141718H368H212H3(H2425)(H2627)
MFCD06022412
ZINC000225747300
ZINC000239287394
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