Vitas-M small molecule compound

methyl 6-[({2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]hydrazinyl}carbonothioyl)amino]-3-chloro-1-benzothiophene-2-carboxylate

Catalog ID
STK457604
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)NNC(=O)C(Oc1ccc2c(c1)OCO2)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 C21H18ClN3O6S2 MW 507.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O6S2/c1-10(31-12-4-6-14-15(8-12)30-9-29-14)19(26)24-25-21(32)23-11-3-5-13-16(7-11)33-18(17(13)22)20(27)28-2/h3-8,10H,9H2,1-2H3,(H,24,26)(H2,23,25,32)
InChIKey
PFULRCILEJPRCH-UHFFFAOYSA-N
Synonyms

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)OC3=CC4=C(C=C3)OCO4
InChI=1SC21H18ClN3O6S2c110(3112461415(812)3092914)19(26)242521(32)2311351316(711)3318(17(13)22)20(27)282h3810H9H212H3(H2426)(H2232532)
METHYL6((((2(2HBENZO(34D)13DIOXOLEN5YLOXY)PROPANOYLAMINO)AMINO)THIOXOMETHYL)AMINO)3CHLOROBENZO(B)THIOPHENE2CARBOXYLATE
methyl6(((2(2(13benzodioxol5yloxy)propanoyl)hydrazinyl)carbonothioyl)amino)3chloro1benzothiophene2carboxylate
METHYL6((2(13BENZODIOXOL5YLOXY)PROPANOYLAMINO)CARBAMOTHIOYLAMINO)3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
MFCD05072805
ZINC000002858351
ZINC000002858352

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.