Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl (1-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL069198
SMILES O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1sc2c(c1Cl)cccc2)OCC1CCCO1
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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 C21H22ClN3O5S2 MW 496.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O5S2/c22-17-13-5-1-2-6-15(13)32-18(17)20(28)24-21(31)25-8-7-23-19(27)14(25)10-16(26)30-11-12-4-3-9-29-12/h1-2,5-6,12,14H,3-4,7-11H2,(H,23,27)(H,24,28,31)InChIKey
BADVSQBZDLADKJ-UHFFFAOYSA-NSynonyms
1042069-35-1(TETRAHYDROFURAN2YL)METHYL2(1((3CHLOROBENZO(B)THIOPHENE2CARBONYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
1042069351
C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl
InChI=1SC21H22ClN3O5S2c221713512615(13)3218(17)20(28)2421(31)25872319(27)14(25)1016(26)3011124392912h12561214H34711H2(H2327)(H242831)
MFCD05877230
OXOLAN2YLMETHYL2(1((3CHLORO1BENZOTHIOPHENE2CARBONYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
tetrahydrofuran2ylmethyl(1(((3chloro1benzothiophen2yl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
ZINC000009910562
ZINC000009910581
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