Vitas-M small molecule compound
2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-N-(4-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Catalog ID
STK385175
SMILES Brc1ccc(cc1)NC(=O)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2
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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 C24H21BrN2O3S MW 497.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN2O3S/c25-16-7-9-17(10-8-16)27-23(28)22-18-4-2-1-3-5-21(18)31-24(22)26-13-15-6-11-19-20(12-15)30-14-29-19/h6-13H,1-5,14H2,(H,27,28)/b26-13+InChIKey
RMMPYQLZBPKAEQ-LGJNPRDNSA-NSynonyms
2(((E)13benzodioxol5ylmethylidene)amino)N(4bromophenyl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2((E)13benzodioxol5ylmethylideneamino)N(4bromophenyl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
Brc1ccc(cc1)NC(=O)c1c(N=Cc2ccc3c(c2)OCO3)sc2c1CCCCC2
C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)N=CC4=CC5=C(C=C4)OCO5
InChI=1SC24H21BrN2O3Sc25167917(10816)2723(28)22184213521(18)3124(22)2613156111920(1215)30142919h613H1514H2(H2728)b2613+
MFCD03274053
ZINC000015946515
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