Vitas-M small molecule compound
propan-2-yl 3-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK116531
SMILES COc1cc(ccc1OC)C(=O)NCc1nnc(n1CC)SCC(=O)Nc1cccc(c1)C(=O)OC(C)C
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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 C26H31N5O6S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O6S/c1-6-31-22(14-27-24(33)17-10-11-20(35-4)21(13-17)36-5)29-30-26(31)38-15-23(32)28-19-9-7-8-18(12-19)25(34)37-16(2)3/h7-13,16H,6,14-15H2,1-5H3,(H,27,33)(H,28,32)InChIKey
RHURNZXCIKKGCQ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CNC(=O)C3=CC(=C(C=C3)OC)OC
InChI=1SC26H31N5O6Sc163122(142724(33)17101120(354)21(1317)365)293026(31)381523(32)281997818(1219)25(34)3716(2)3h71316H61415H215H3(H2733)(H2832)
MFCD04128376
PROPAN2YL3((((5((((34DIMETHOXYPHENYL)CARBONYL)AMINO)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((5(((34DIMETHOXYBENZOYL)AMINO)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000059778541
ZINC59778541
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