Vitas-M small molecule compound

propan-2-yl 2-{[(3-ethoxyphenyl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Catalog ID
STK444163
SMILES CCOc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCCCCCCC2

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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 C27H37NO4S MW 471.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO4S/c1-4-31-21-15-13-14-20(18-21)25(29)28-26-24(27(30)32-19(2)3)22-16-11-9-7-5-6-8-10-12-17-23(22)33-26/h13-15,18-19H,4-12,16-17H2,1-3H3,(H,28,29)
InChIKey
MRDASCPUDFOTNS-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC(C)C
InChI=1SC27H37NO4Sc14312115131420(1821)25(29)282624(27(30)3219(2)3)2216119756810121723(22)3326h13151819H4121617H213H3(H2829)
MFCD02055934
propan2yl2(((3ethoxyphenyl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
propan2yl2((3ethoxybenzoyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000020177726
ZINC20177726

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Available files

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