Vitas-M small molecule compound
ethyl 2-[({2-[(3,4,5-triethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK456196
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)c2cc(OCC)c(c(c2)OCC)OCC)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 C26H35N3O6S2 MW 549.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35N3O6S2/c1-5-32-18-14-16(15-19(33-6-2)22(18)34-7-3)23(30)28-29-26(36)27-24-21(25(31)35-8-4)17-12-10-9-11-13-20(17)37-24/h14-15H,5-13H2,1-4H3,(H,28,30)(H2,27,29,36)InChIKey
YMMOZAUPPQTNFG-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC
ethyl2(((2((345triethoxyphenyl)carbonyl)hydrazinyl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(((345triethoxybenzoyl)amino)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC26H35N3O6S2c1532181416(1519(3362)22(18)3473)23(30)282926(36)272421(25(31)3584)1712109111320(17)3724h1415H513H214H3(H2830)(H2272936)
MFCD05094500
ZINC000059603034
ZINC59603034
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