Vitas-M small molecule compound
1,3-dichloropropan-2-yl 3-[(7-methyl-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
Catalog ID
STK959687
SMILES ClCC(OC(=O)C1C2C=CC(C1C(=O)Nc1nc3c(s1)c(C)ccc3)C2)CCl
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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 C20H20Cl2N2O3S MW 439.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20Cl2N2O3S/c1-10-3-2-4-14-17(10)28-20(23-14)24-18(25)15-11-5-6-12(7-11)16(15)19(26)27-13(8-21)9-22/h2-6,11-13,15-16H,7-9H2,1H3,(H,23,24,25)InChIKey
JILVMJIBZXMCPT-UHFFFAOYSA-NSynonyms
13DICHLOROPROPAN2YL2((7METHYL13BENZOTHIAZOL2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLATE
13dichloropropan2yl3((7methyl13benzothiazol2yl)carbamoyl)bicyclo(221)hept5ene2carboxylate
2CHLORO1(CHLOROMETHYL)ETHYL3(((7METHYL13BENZOTHIAZOL2YL)AMINO)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLATE
CC1=C2C(=CC=C1)N=C(S2)NC(=O)C3C4CC(C3C(=O)OC(CCl)CCl)C=C4
InChI=1SC20H20Cl2N2O3Sc1103241417(10)2820(2314)2418(25)15115612(711)16(15)19(26)2713(821)922h2611131516H79H21H3(H232425)
MFCD01973042
ZINC000103070513
ZINC000245239478
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